产品名称：
(3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-)
其他名称： (3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-)；CHEBI:84791；Q27158071
其他名称： (3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-)；CHEBI:84791；Q27158071
结构信息
| 分子式 | C43H62N7O17P3S-4 | 分子量 | 1074 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(3E,7Z,10Z,13Z,16Z,19Z)-docosa-3,7,10,13,16,19-hexaenoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate | ||||
| InChIKey | SMXVAIMPVOMQLT-OBGVZRINSA-J | ||||
| InChI | InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,21-22,30-32,36-38,42,53-54H,4,7,10,13,16,19-20,23-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,22-21+/t32-,36-,37-,38+,42-/m1/s1 | ||||
| SMILES | CCC=CCC=CCC=CCC=CCC=CCCC=CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O | ||||
